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Make HDF5 Enablement Less Strict #71

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merged 2 commits into from
Aug 19, 2023
Merged

Make HDF5 Enablement Less Strict #71

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8b18d96
Make HDF5 enablment less strict, only build bindings if enabled + found
wavefunction91 Aug 19, 2023
8e34658
Fixup: ensure config file is generated after GAUXC_HAS_HDF5 is set
wavefunction91 Aug 19, 2023
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4 changes: 2 additions & 2 deletions cmake/gauxc-config.cmake.in
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Original file line number Diff line number Diff line change
Expand Up @@ -20,7 +20,7 @@ set( GAUXC_ENABLE_CUTLASS @GAUXC_ENABLE_CUTLASS@ )
set( GAUXC_ENABLE_MPI @GAUXC_ENABLE_MPI@ )
set( GAUXC_ENABLE_OPENMP @GAUXC_ENABLE_OPENMP@ )
set( GAUXC_ENABLE_GAU2GRID @GAUXC_ENABLE_GAU2GRID@ )
set( GAUXC_ENABLE_HDF5 @GAUXC_ENABLE_HDF5@ )
set( GAUXC_HAS_HDF5 @GAUXC_HAS_HDF5@ )


if( GAUXC_ENABLE_HOST )
Expand Down Expand Up @@ -49,7 +49,7 @@ if( GAUXC_ENABLE_OPENMP )
find_dependency( OpenMP )
endif()

if( GAUXC_ENABLE_HDF5 )
if( GAUXC_HAS_HDF5 )
find_dependency( HighFive )
endif()

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3 changes: 3 additions & 0 deletions cmake/gauxc-dep-versions.cmake
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Expand Up @@ -18,3 +18,6 @@ set( GAUXC_GAU2GRID_REVISION v2.0.6 )

set( GAUXC_INTEGRATORXX_REPOSITORY https://github.com/wavefunction91/IntegratorXX.git )
set( GAUXC_INTEGRATORXX_REVISION ea07dedd37e7bd49ea06394eb811599002b34b49 )

set( GAUXC_HIGHFIVE_REPOSITORY https://github.com/BlueBrain/HighFive.git )
set( GAUXC_HIGHFIVE_REVISION 805f0e13d09b47c4b01d40682621904aa3b31bb8 )
2 changes: 1 addition & 1 deletion include/gauxc/external/hdf5.hpp
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Expand Up @@ -6,7 +6,7 @@
* See LICENSE.txt for details
*/
#include <gauxc/gauxc_config.hpp>
#ifdef GAUXC_ENABLE_HDF5
#ifdef GAUXC_HAS_HDF5
#include <gauxc/shell.hpp>
#include <gauxc/atom.hpp>

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2 changes: 1 addition & 1 deletion include/gauxc/gauxc_config.hpp.in
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Expand Up @@ -15,7 +15,7 @@
#cmakedefine GAUXC_ENABLE_NCCL
#cmakedefine GAUXC_ENABLE_CUTLASS
#cmakedefine GAUXC_ENABLE_GAU2GRID
#cmakedefine GAUXC_ENABLE_HDF5
#cmakedefine GAUXC_HAS_HDF5
#cmakedefine GAUXC_ENABLE_FAST_RSQRT

#cmakedefine GAUXC_ENABLE_DEVICE
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13 changes: 7 additions & 6 deletions src/CMakeLists.txt
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Expand Up @@ -72,12 +72,6 @@ if( GAUXC_CXX_HAS_WSHADOW )
target_compile_options( gauxc PRIVATE $<$<COMPILE_LANGUAGE:CXX>: -Wshadow> )
endif()


configure_file(
${PROJECT_SOURCE_DIR}/include/gauxc/gauxc_config.hpp.in
${PROJECT_BINARY_DIR}/include/gauxc/gauxc_config.hpp
)

target_link_libraries( gauxc PUBLIC
ExchCXX::ExchCXX
IntegratorXX::IntegratorXX
Expand All @@ -104,6 +98,13 @@ add_subdirectory( external )

add_library( gauxc::gauxc ALIAS gauxc )

# Generate config file
configure_file(
${PROJECT_SOURCE_DIR}/include/gauxc/gauxc_config.hpp.in
${PROJECT_BINARY_DIR}/include/gauxc/gauxc_config.hpp
)


include( GNUInstallDirs )

# TARGETS
Expand Down
40 changes: 25 additions & 15 deletions src/external/CMakeLists.txt
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Expand Up @@ -7,19 +7,29 @@
#
if( GAUXC_ENABLE_HDF5 )
include(FetchContent)
find_package(HDF5 REQUIRED)
FetchContent_Declare( HighFive
GIT_REPOSITORY https://github.com/BlueBrain/HighFive.git
GIT_TAG 805f0e13d09b47c4b01d40682621904aa3b31bb8
)

set(HIGHFIVE_USE_BOOST OFF CACHE BOOL "" )
set(HIGHFIVE_UNIT_TESTS OFF CACHE BOOL "" )
set(HIGHFIVE_EXAMPLES OFF CACHE BOOL "" )
#set(HIGHFIVE_PARALLEL_HDF5 ON CACHE BOOL "" )
set(HIGHFIVE_BUILD_DOCS OFF CACHE BOOL "" )
FetchContent_MakeAvailable( HighFive )

target_sources( gauxc PRIVATE hdf5_write.cxx hdf5_read.cxx )
target_link_libraries( gauxc PUBLIC HighFive )
find_package(HDF5)
if(HDF5_FOUND)
set(GAUXC_HAS_HDF5 TRUE CACHE BOOL "" FORCE)
message(STATUS "Enabling HDF5 Bindings")
message(STATUS "HighFive REPO = ${GAUXC_HIGHFIVE_REPOSITORY}")
message(STATUS "HighFive REV = ${GAUXC_HIGHFIVE_REVISION} ")
FetchContent_Declare( HighFive
GIT_REPOSITORY ${GAUXC_HIGHFIVE_REPOSITORY}
GIT_TAG ${GAUXC_HIGHFIVE_REVISION}
)

set(HIGHFIVE_USE_BOOST OFF CACHE BOOL "" )
set(HIGHFIVE_UNIT_TESTS OFF CACHE BOOL "" )
set(HIGHFIVE_EXAMPLES OFF CACHE BOOL "" )
#set(HIGHFIVE_PARALLEL_HDF5 ON CACHE BOOL "" )
set(HIGHFIVE_BUILD_DOCS OFF CACHE BOOL "" )
FetchContent_MakeAvailable( HighFive )

target_sources( gauxc PRIVATE hdf5_write.cxx hdf5_read.cxx )
target_link_libraries( gauxc PUBLIC HighFive )
else()
message(WARNING "GAUXC_ENABLE_HDF5 was enabled, but HDF5 was not found, Disabling HDF5 Bindings")
endif()
else()
message(STATUS "Disabling HDF5 Bindings")
endif()
4 changes: 4 additions & 0 deletions tests/CMakeLists.txt
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Expand Up @@ -5,6 +5,10 @@
#
# See LICENSE.txt for details
#
if(NOT GAUXC_HAS_HDF5)
message(WARNING "GauXC Tests were ENABLED but HDF5 was not FOUND/ENABLED. Please enable and ensure discovery of HDF5. Skipping Tests")
return()
endif()
message( STATUS "Building GauXC Tests" )
add_library( gauxc_catch2 INTERFACE )

Expand Down